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Details

Stereochemistry ACHIRAL
Molecular Formula C3H9NO.2H2O
Molecular Weight 111.1402
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIMETHYLAMINE OXIDE DIHYDRATE

SMILES

O.O.C[N+](C)(C)[O-]

InChI

InChIKey=PGFPZGKEDZGJQZ-UHFFFAOYSA-N
InChI=1S/C3H9NO.2H2O/c1-4(2,3)5;;/h1-3H3;2*1H2

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C3H9NO
Molecular Weight 75.1097
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Proton nuclear magnetic resonance spectral profiles of urine in type II diabetic patients.
1998 Jul
Identification of a twin-arginine leader-binding protein.
2001 Apr
Effects of the osmolyte trimethylamine-N-oxide on conformation, self-association, and two-dimensional crystallization of myelin basic protein.
2002 Jul
1H and (13)C NMR spectroscopic analysis of human saliva.
2002 Jun
Trimethylamine and trimethylamine oxide levels in normal women and women with bacterial vaginosis reflect a local metabolism in vaginal secretion as compared to urine.
2005 Jul-Aug
Natural disordered sequences in the amino terminal domain of nuclear receptors: lessons from the androgen and glucocorticoid receptors.
2007 Mar 9
Activation of the UPR protects against cigarette smoke-induced RPE apoptosis through up-regulation of Nrf2.
2015 Feb 27
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:39:42 GMT 2023
Edited
by admin
on Fri Dec 15 16:39:42 GMT 2023
Record UNII
C73WZ0186W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIMETHYLAMINE OXIDE DIHYDRATE
Systematic Name English
TRIMETHYLAMINE N-OXIDE DIHYDRATE
MI  
Systematic Name English
TRIMETHYLAMINE OXIDE, DIHYDRATE
Systematic Name English
N,N-DIMETHYLMETHANAMINE OXIDE, DIHYDRATE
Systematic Name English
TRIMETHYLAMINE N-OXIDE DIHYDRATE [MI]
Common Name English
Code System Code Type Description
FDA UNII
C73WZ0186W
Created by admin on Fri Dec 15 16:39:42 GMT 2023 , Edited by admin on Fri Dec 15 16:39:42 GMT 2023
PRIMARY
MERCK INDEX
m11151
Created by admin on Fri Dec 15 16:39:42 GMT 2023 , Edited by admin on Fri Dec 15 16:39:42 GMT 2023
PRIMARY Merck Index
CAS
62637-93-8
Created by admin on Fri Dec 15 16:39:42 GMT 2023 , Edited by admin on Fri Dec 15 16:39:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID00211694
Created by admin on Fri Dec 15 16:39:42 GMT 2023 , Edited by admin on Fri Dec 15 16:39:42 GMT 2023
PRIMARY
PUBCHEM
198430
Created by admin on Fri Dec 15 16:39:42 GMT 2023 , Edited by admin on Fri Dec 15 16:39:42 GMT 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE